Compound Identification
SMILES
Br.NC1=C2C3=C(SC(Br)=C3)SC3=CC=CC=C3C2=CC=NC1
InChIKey
InChIKey=FNKAGMXLDIZICN-UHFFFAOYSA-N
Formula
C16H12Br2N2S2
Mass
456.21
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiepins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiepins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiepins
Alternative Parents
Diarylthioethers 2,3,5-trisubstituted thiophenes Azepines Benzenoids Aryl bromides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Enamines Azacyclic compounds Organobromides Monoalkylamines Imines Hydrocarbon derivatives Hydrobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Diarylthioether - Aryl thioether - 2,3,5-trisubstituted thiophene - Azepine - Aryl bromide - Aryl halide - Benzenoid - Heteroaromatic compound - Thiophene - Azacycle - Enamine - Thioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organobromide - Organohalogen compound - Primary aliphatic amine - Imine - Hydrobromide - Organonitrogen compound - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiepins. These are organic compounds containing a benzene fused to a thiepine ring (a seven-membered ring with six carbon atoms and one sulfur atom).
External Descriptors
Not available